SCHEMBL412605

SCHEMBL412605

CN1CCC(c2cccc(C(=O)O)n2)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.49
KDM4E B2RXH2 2/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
ACMSD Q8TDX5 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
GNE Q9Y223 1/20 0.45
HTR1A P08908 4/20 0.43
DRD2 P14416 4/20 0.43
DRD4 P21917 4/20 0.43
PARP1 P09874 1/20 0.42
KCNH2 Q12809 2/20 0.40
HTR1F P30939 1/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ECE1 P42892 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL4291003 0.98 CNR2 (0.48) CNR2KDM4EALOX15TSHRACMSD
SCHEMBL3467760 0.91 KDM4E (0.44) CNR2KDM4EALOX15TSHRACMSD
Water SCHEMBL3474017 0.90 KDM4E (0.43) CNR2KDM4EALOX15TSHRACMSD
SCHEMBL15019902 0.85 KDM4E (0.59) CNR2KDM4EALOX15TSHRACMSD
SCHEMBL30903051 0.85 KDM4E (0.59) CNR2KDM4EALOX15TSHRACMSD
SCHEMBL9943901 0.85 CNR2 (0.49) CNR2KDM4EALOX15TSHRACMSD
SCHEMBL412412 0.84 CNR2 (0.49) CNR2HTR1ADRD2DRD4KCNH2
Lithium SCHEMBL29514614 0.84 KDM4E (0.57) CNR2KDM4EALOX15TSHRACMSD
SCHEMBL15020155 0.82 KDM4E (0.55) CNR2KDM4EALOX15TSHRACMSD
SCHEMBL14151725 0.82 CNR2 (0.58) CNR2KDM4EALOX15TSHRACMSD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4698517-A1 <SUP2/>? <SUB2/>?4?NOVEL COMPOUNDS AS ?? <NS1:SUB>7</NS1:SUB>?INHIBITORS Evotec International GmbH (DE) 2026-02-25 EP disclosed
WO-2024218058-A1 NOVEL COMPOUNDS AS α4β7 INHIBITORS EVOTEC INTERNATIONAL GMBH (DE) 2024-10-24 WO disclosed
US-8748420-B2 Pyridinylcarboxylic acid derivatives as fungicides BAYER CROPSCIENCE AG (DE) 2014-06-10 US disclosed
US-20140066442-A1 Pyridinylcarboxylic Acid Derivatives as Fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-03-06 US disclosed
US-20120065197-A1 Pyridinylcarboxylic Acid Derivatives as Fungicides BAYER CROPSCIENCE AG (DE) 2012-03-15 US disclosed
US-20090197859-A1 Pyridinyl Amides for the Treatment of CNS and Metabolic Disorders PFIZER INC. 2009-08-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120065197-A1 Pyridinylcarboxylic Acid Derivatives as Fungicides PNPO, CYP1A1, CHRM1 CNR2 1408/4885KDM4E 2528/4885ALOX15 833/4885
US-20090197859-A1 Pyridinyl Amides for the Treatment of CNS and Metabolic Disorders HTR6, HTR5A, TPH1 CNR2 42/4885KDM4E 2255/4885ALOX15 660/4885
US-20140066442-A1 Pyridinylcarboxylic Acid Derivatives as Fungicides PNPO, CYP1A1, CHRM1 CNR2 1427/4885KDM4E 2599/4885ALOX15 929/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.